UCSF

ZINC40175630

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.07 7.46 -66.81 2 6 0 85 324.336 5
Hi High (pH 8-9.5) 4.07 6.97 -52.31 1 6 -1 84 323.328 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )